1,2-Propanediol, 3-(ethyl(3-methylphenyl)amino)-
Basic information
- CAS
92-11-5- Standard SMILES
CCN(CC(O)CO)c1cccc(C)c1- InChIKey
SJLAXYZNPAEOOM-UHFFFAOYSA-N- Molecular formula
- C12H19NO2
- Average molar mass
- 209.28 g/mol
- Monoisotopic mass
- 209.14157885
Names & identifiers
- Preferred name
- 1,2-Propanediol, 3-(ethyl(3-methylphenyl)amino)-
- IUPAC
- 3-(N-ethyl-3-methylanilino)propane-1,2-diol
- English name
- 3-(N-ethyl-m-toluidino)propane-1,2-diol
- Molecular formula
- C9H6F3N5
- Molecular weight
- 209.28476
Names & synonyms
1,2-Propanediol, 3-(ethyl(3-methylphenyl)amino)-EINECS 202-126-31,2-Propanediol, 3-[ethyl(3-methylphenyl)amino]-DTXSID20883271RefChem:412164DTXCID90102281492-11-53-(N-ethyl-3-methylanilino)propane-1,2-diol3-(N-Ethyl-m-toluidino)propane-1,2-diol3-(N-Ethyl-m-toluidino)-1,2-propanediol3-[ETHYL(3-METHYLPHENYL)AMINO]PROPANE-1,2-DIOLSCHEMBL11341592
Show more names
3-(3-Methylphenylethylamino)propane-1,2-diol3-[Ethyl(3-methylphenyl)amino]-1,2-propanediol7H-Imidazo[4,5-c]-1,2,4-triazolo[4,3-a]pyridine, 7-methyl-3-(trifluoromethyl)- 1,2-Propanediol, 3-[ethyl(3-methylphenyl)amino]-
SCHEMBL30648616SJLAXYZNPAEOOM-UHFFFAOYSA-NAKOS015890751DB-251990NS00041080
Database identifiers
- CAS
92-11-5- PubChem CID
- 101557
- DTXSID
DTXSID20883271- EC Number
- 202-126-3
- Nikkaji
- J37.706F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Melting point
- 157 °C · 157 °C(Solv: ethanol (64-17-5))
- Boiling point
- 367.6 · 367.6±12.0 °C(Predicted)
- Density
- 1.109 · 1.109±0.06 g/cm3(Predicted)
- pka
- 13.92 · 13.92±0.20(Predicted)
- EPA Substance Registry System
- 1 · 1,2-Propanediol, 3-[ethyl(3-methylphenyl)amino]- (92-11-5)
- TSCA
- TSCA listed
- HS Code
- 2921499090 · 2921499090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- hs_code
- 2921499090
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Propanediol, 3-[ethyl(3-methylphenyl)amino]-: INACTIVE
Applications
Uses3-(N-Ethyl-m-toluidino)-1,2-propanediol is an intermediate in the synthesis of Disperse Blue 102 (D493480), a allergenic disperse dye used in textile products. Dyes and metabolites, Environmental Testing.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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